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178810-20-3 | 1,3-Benzenediol, 4,4'-(2-thienylmethylene)bis[2-methyl-
CAS No: 178810-20-3 Catalog No: AG0026DU MDL No:
Product Description
Catalog Number:
AG0026DU
Chemical Name:
1,3-Benzenediol, 4,4'-(2-thienylmethylene)bis[2-methyl-
CAS Number:
178810-20-3
Molecular Formula:
C19H18O4S
Molecular Weight:
342.4088
IUPAC Name:
4-[(2,4-dihydroxy-3-methylphenyl)-thiophen-2-ylmethyl]-2-methylbenzene-1,3-diol
InChI:
InChI=1S/C19H18O4S/c1-10-14(20)7-5-12(18(10)22)17(16-4-3-9-24-16)13-6-8-15(21)11(2)19(13)23/h3-9,17,20-23H,1-2H3
InChI Key:
BRQOLSNNEBQOOW-UHFFFAOYSA-N
SMILES:
Cc1c(O)ccc(c1O)C(c1ccc(c(c1O)C)O)c1cccs1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
342.409g/mol
Monoisotopic Mass:
342.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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